Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Rovatirelin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRHR known ✓ | P34981 | 3/20 | 0.38 |
| ▸ | DPP4 | P27487 | 1/20 | 0.43 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.43 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.43 |
| ▸ | CAPN1 | P07384 | 2/20 | 0.36 |
| ▸ | REN | P00797 | 8/20 | 0.35 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Rovatirelin SCHEMBL20811796 | 0.99 | DPP4 (0.42) | DPP4DPP8DPP9TRHRCAPN1 | |
| Rovatirelin SCHEMBL14280927 | 0.99 | DPP4 (0.42) | DPP4DPP8DPP9TRHRCAPN1 | |
| Rovatirelin SCHEMBL27063662 | 0.99 | DPP4 (0.42) | DPP4DPP8DPP9TRHRCAPN1 | |
| Rovatirelin SCHEMBL27063670 | 0.99 | DPP4 (0.42) | DPP4DPP8DPP9TRHRCAPN1 | |
| Rovatirelin SCHEMBL14306794 | 0.99 | DPP4 (0.42) | DPP4DPP8DPP9TRHRCAPN1 | |
| SCHEMBL23367834 | 0.83 | DPP4 (0.42) | DPP4DPP8DPP9TRHRCAPN1 | |
| SCHEMBL5734974 | 0.82 | CAPN1 (0.44) | CAPN1REN | |
| SCHEMBL5737097 | 0.82 | CAPN1 (0.44) | CAPN1REN | |
| SCHEMBL5737104 | 0.82 | CAPN1 (0.44) | CAPN1REN | |
| SCHEMBL5734967 | 0.82 | CAPN1 (0.44) | CAPN1REN |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118028395-A | Method for synthesizing (S) -2-amino-3- (thiazole-4-yl) propionic acid by biological enzyme method | 中国科学院青岛生物能源与过程研究所 | 2024-05-14 | — | — | CN | disclosed |
| EP-1786423-A1 | A PHARMACEUTICAL COMPOSITION FOR TREATING ATAXIA, MULTIPLE SYSTEM ATROPHY OR BALANCE DISORDERS | Shionogi Co., Ltd. (JP) | 2007-05-23 | — | — | EP | disclosed |
| WO-2006028277-A1 | A PHARMACEUTICAL COMPOSITION FOR TREATING ATAXIA, MULTIPLE SYSTEM ATROPHY OR BALANCE DISORDERS | SHIONOGI & CO., LTD. (JP) | 2006-03-16 | — | — | WO | disclosed |